[DFTB-Plus-User] non-scc/Si_216 with provided binary 1.3p1

Stefan Boresch stefan at mdy.univie.ac.at
Tue May 30 13:34:35 CEST 2017


Dear Bálint,

with ulimit -s unlimited the test runs through, so all tests pass
for me with the precompiled binary!

I saw the ulimit command mentioned, but in my experience with other
programs it's often either 'all is well' or 'nothing works', and since
other jobs were running I assumed it not to be necessary on my
platform.

Thanks for your help!

Stefan

On Tue, May 30, 2017 at 11:56:20AM +0200, Bálint Aradi wrote:
> Dear Stefan,
> 
> On 05/30/2017 11:49 AM, Stefan Boresch wrote:
> > Since Ben Hourahine in reply to my earlier question
> > asked, here are my details concerning 
> > the non-scc/Si_216 test. NOTE: I am using the statically linked
> > dftb+ executable from the download area.
> 
> Did you set the stack limit to unlimited (ulimit -s unlimited) as ask
> for in the download area?
> 
> Note: If you experience segfaults when running this binary, make sure,
> you enable unlimited stack space (e.g. 'ulimit -s unlimited' for Bash)
> in the shell from which the binary is invoked.
> 
> 
>   Best regards,
> 
>   Bálint
> 
> -- 
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b-aradi/
> 
> 




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